1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]ethanone

C17H24N4O — CID 97007918

IUPAC1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](NCc2cnc3cc(C)ccn23)[C@H](C)C1
InChIInChI=1S/C17H24N4O/c1-12-4-7-21-15(10-19-17(21)8-12)9-18-16-5-6-20(14(3)22)11-13(16)2/h4,7-8,10,13,16,18H,5-6,9,11H2,1-3H3/t13-,16-/m1/s1
InChIKeyLKUVJCILIVGDEE-CZUORRHYSA-N
MW300.41 g/mol
LogP1.99
Rot. Bonds3

About 1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]ethanone

1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]ethanone (PubChem CID 97007918) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]ethanone
PubChem CID97007918
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](NCc2cnc3cc(C)ccn23)[C@H](C)C1
InChIInChI=1S/C17H24N4O/c1-12-4-7-21-15(10-19-17(21)8-12)9-18-16-5-6-20(14(3)22)11-13(16)2/h4,7-8,10,13,16,18H,5-6,9,11H2,1-3H3/t13-,16-/m1/s1
InChIKeyLKUVJCILIVGDEE-CZUORRHYSA-N
XLogP1.99
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]ethanone (CID 97007918) is 1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]ethanone is CC(=O)N1CC[C@@H](NCc2cnc3cc(C)ccn23)[C@H](C)C1.
What is the InChIKey of 1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]ethanone?
The InChIKey is LKUVJCILIVGDEE-CZUORRHYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12-4-7-21-15(10-19-17(21)8-12)9-18-16-5-6-20(14(3)22)11-13(16)2/h4,7-8,10,13,16,18H,5-6,9,11H2,1-3H3/t13-,16-/m1/s1.
What are the key properties of 1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]ethanone?
1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]ethanone has a molecular weight of 300.41 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-methyl-4-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 97007918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).